3-Pyridinol,2-[(dimethylamino)methyl]- (2168-13-0)

The 2-(Dimethylaminomethyl)-3-hydroxypyridine with the CAS number 2168-13-0 is also called 3-Pyridinol,2-[(dimethylamino)methyl]-. Both the systematic name and IUPAC name are 2-(dimethylaminomethyl)pyridin-3-ol. Its molecular formula is C₈H₁₂N₂O. The EINECS registry number is 218-510-9.

The properties of the chemical are: (1)ACD/LogP: 0.40 ; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.2; (4)ACD/LogD (pH 7.4): -0.1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 12.48; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 25.36 Å²; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 44.12 cm³; (15)Molar Volume: 137.6 cm³; (16)Polarizability: 17.49×10^-24 cm³; (17)Surface Tension: 45.9 dyne/cm; (18)Enthalpy of Vaporization: 49.7 kJ/mol; (19)Vapour Pressure: 0.0241 mmHg at 25°C.

Uses: This chemical can prepare 2-methyl-pyridin-3-ol. This reaction needs reagent tri-n-butyltin hydride at temperature of 200 °C. The reaction time is 30 min. The yield is 65%.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cccnc1CN(C)C
(2)InChI: InChI=1/C8H12N2O/c1-10(2)6-7-8(11)4-3-5-9-7/h3-5,11H,6H2,1-2H3
(3)InChIKey: NUMYETXZBQVFDX-UHFFFAOYAA